5OD3
 
 | | Crystal structure of R. ruber ADH-A, mutant Y54G, L119Y | | Descriptor: | Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | Authors: | Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M. | | Deposit date: | 2017-07-04 | | Release date: | 2018-07-04 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Stereo- and Regioselectivity in Catalyzed Transformation of a 1,2-Disubstituted Vicinal Diol and the Corresponding Diketone by Wild Type and Laboratory Evolved Alcohol Dehydrogenases
Acs Catalysis, 8, 2018
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6SJJ
 | | A new modulated crystal structure of ANS complex of St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-ANILINO-1-NAPHTHALENE SULFONATE, CITRATE ANION, ... | | Authors: | Smietanska, J, Sliwiak, J, Gilski, M, Dauter, Z, Strzalka, R, Wolny, J, Jaskolski, M. | | Deposit date: | 2019-08-13 | | Release date: | 2020-06-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell.
Acta Crystallogr D Struct Biol, 76, 2020
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2W84
 | | Structure of Pex14 in complex with Pex5 | | Descriptor: | PEROXISOMAL MEMBRANE PROTEIN PEX14, PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR | | Authors: | Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M. | | Deposit date: | 2009-01-09 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for competitive interactions of Pex14 with the import receptors Pex5 and Pex19.
EMBO J., 28, 2009
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2W85
 | | Structure of Pex14 in complex with Pex19 | | Descriptor: | PEROXIN-19, PEROXISOMAL MEMBRANE ANCHOR PROTEIN PEX14 | | Authors: | Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M. | | Deposit date: | 2009-01-09 | | Release date: | 2009-02-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis for Competitive Interactions of Pex14 with the Import Receptors Pex5 and Pex19.
Embo J., 28, 2009
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3MRC
 | | Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6C variant | | Descriptor: | 9-meric peptide from Tegument protein pp65, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | | Authors: | Gras, S, Reiser, J.-B, Chouquet, A, Debeaupuis, E, Echasserieau, K, Saulquin, X, Bonneville, M, Housset, D. | | Deposit date: | 2010-04-29 | | Release date: | 2011-05-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans.
J.Immunol., 193, 2014
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6SFH
 | | CRYSTAL STRUCTURE OF DHQ1 FROM Staphylococcus aureus COVALENTLY MODIFIED BY LIGAND 7 | | Descriptor: | (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase, LITHIUM ION, ... | | Authors: | Sanz-Gaitero, M, Lence, E, Maneiro, M, Thompson, R, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2019-08-01 | | Release date: | 2020-04-15 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Self-Immolation of a Bacterial Dehydratase Enzyme by its Epoxide Product.
Chemistry, 26, 2020
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2VYA
 | | Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | | Deposit date: | 2008-07-22 | | Release date: | 2008-09-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion.
Proc.Natl.Acad.Sci.USA, 105, 2008
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1YDO
 | | Crystal Structure of the Bacillis subtilis HMG-CoA Lyase, Northeast Structural Genomics Target SR181. | | Descriptor: | HMG-CoA Lyase, IODIDE ION | | Authors: | Forouhar, F, Hussain, M, Edstrom, W, Vorobiev, S.M, Xiao, R, Ciano, M, Shih, L, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-24 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Crystal structures of two bacterial 3-hydroxy-3-methylglutaryl-CoA lyases suggest a common catalytic mechanism among a family of TIM barrel metalloenzymes cleaving carbon-carbon bonds.
J.Biol.Chem., 281, 2006
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2VNV
 | | Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution | | Descriptor: | BCLA, CALCIUM ION, SULFATE ION, ... | | Authors: | Lameignere, E, Malinovska, L, Mitchell, E.P, Imberty, A, Wimmerova, M. | | Deposit date: | 2008-02-07 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia
Biochem.J., 411, 2008
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5LNV
 | | Crystal structure of Arabidopsis thaliana Pdx1-I320 complex from multiple crystals | | Descriptor: | (4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one, PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | | Deposit date: | 2016-08-06 | | Release date: | 2017-01-18 | | Last modified: | 2018-09-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
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5LO9
 | | Thiosulfate dehydrogenase (TsdBA) from Marichromatium purpuratum - "as isolated" form | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome C, ... | | Authors: | Brito, J.A, Kurth, J.M, Reuter, J, Flegler, A, Koch, T, Franke, T, Klein, E, Rowe, S, Butt, J.N, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M. | | Deposit date: | 2016-08-08 | | Release date: | 2016-10-12 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Electron Accepting Units of the Diheme Cytochrome c TsdA, a Bifunctional Thiosulfate Dehydrogenase/Tetrathionate Reductase.
J.Biol.Chem., 291, 2016
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6BOZ
 | | Structure of human SETD8 in complex with covalent inhibitor MS4138 | | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | | Authors: | Babault, N, Anqi, M, Jin, J. | | Deposit date: | 2017-11-21 | | Release date: | 2019-05-01 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
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5LPA
 | | AadA E87Q in complex with ATP, calcium and dihydrostreptomycin | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Stern, A.L, Van der Verren, S.E, Selmer, M. | | Deposit date: | 2016-08-12 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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6HYN
 | | Structure of ATG13 LIR motif bound to GABARAP | | Descriptor: | Autophagy-related protein 13,Gamma-aminobutyric acid receptor-associated protein | | Authors: | Mouilleron, S, Wirth, M, Zhang, W, O'Reilly, N, Tooze, S, Johansen, T, Razi, M, Nyoni, L, Joshi, D. | | Deposit date: | 2018-10-22 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Molecular determinants regulating selective binding of autophagy adapters and receptors to ATG8 proteins.
Nat Commun, 10, 2019
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3M5Q
 | | 0.93 A Structure of Manganese-Bound Manganese Peroxidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Sundaramoorthy, M, Gold, M.H, Poulos, T.L. | | Deposit date: | 2010-03-12 | | Release date: | 2010-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism.
J.Inorg.Biochem., 104, 2010
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6SR1
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 35 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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1IG4
 | | Solution Structure of the Methyl-CpG-Binding Domain of Human MBD1 in Complex with Methylated DNA | | Descriptor: | 5'-D(*GP*TP*AP*TP*CP*(5CM)P*GP*GP*AP*TP*AP*C)-3', Methyl-CpG Binding Protein | | Authors: | Ohki, I, Shimotake, N, Fujita, N, Jee, J.-G, Ikegami, T, Nakao, M, Shirakawa, M. | | Deposit date: | 2001-04-17 | | Release date: | 2001-05-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the methyl-CpG binding domain of human MBD1 in complex with methylated DNA.
Cell(Cambridge,Mass.), 105, 2001
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6SRK
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6SP1
 | | KEAP1 IN COMPLEX WITH COMPOUND 6 | | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1 | | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | | Deposit date: | 2019-08-30 | | Release date: | 2020-06-03 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
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5OJ8
 | | Crystal structure of the KLC1-TPR domain ([A1-B5] fragment) | | Descriptor: | Kinesin light chain 1, PHOSPHATE ION | | Authors: | Nguyen, T.Q, Chenon, M, Vilela, F, Velours, C, Fernandez-Varela, P, Llinas, P, Menetrey, J. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.247 Å) | | Cite: | Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.
PLoS ONE, 12, 2017
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2W1Z
 | | ROP2 from Toxoplasma gondii: A virulence factor with a protein- kinase fold and no enzymatic activity. | | Descriptor: | ROP2, SULFATE ION | | Authors: | Labesse, G, Gelin, M, Bessin, Y, Lebrun, M, Arold, S.T, Dubremetz, J.-F. | | Deposit date: | 2008-10-21 | | Release date: | 2008-12-09 | | Last modified: | 2011-09-21 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Rop2 from Toxoplasma Gondii: A Virulence Factor with a Protein-Kinase Fold and No Enzymatic Activity.
Structure, 17, 2009
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5OJF
 | | Crystal Structure of KLC2-TPR domain (fragment [A1-B6] | | Descriptor: | Kinesin light chain 2 | | Authors: | Nguyen, T.Q, Chenon, M, Vilela, F, Velours, C, Andreani, J, Fernandez-Varela, P, Llinas, P, Menetrey, J. | | Deposit date: | 2017-07-21 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.
PLoS ONE, 12, 2017
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6BS8
 | | The class 3 DnaB intein from Mycobacterium smegmatis | | Descriptor: | Replicative DNA helicase | | Authors: | Li, Z, Kelley, D.S, Banavali, N, Belfort, M, Li, H. | | Deposit date: | 2017-12-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mycobacterial DnaB helicase intein as oxidative stress sensor.
Nat Commun, 9, 2018
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2W06
 | | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | | Descriptor: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | | Deposit date: | 2008-08-08 | | Release date: | 2008-09-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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5I3A
 | | Crystal Structure of tyrosinase from Bacillus megaterium with configuration A of hydroquinone inhibitor in the active site | | Descriptor: | Tyrosinase, ZINC ION, benzene-1,4-diol | | Authors: | Kanteev, M, Deri, B, Adir, N, Fishman, A. | | Deposit date: | 2016-02-10 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The unravelling of the complex pattern of tyrosinase inhibition.
Sci Rep, 6, 2016
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